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2-Bromo-benzoic acid 1-acetyl-hexyl ester
SpectraBase Compound ID BLmc3ds4hkO
InChI InChI=1S/C15H19BrO3/c1-3-4-5-10-14(11(2)17)19-15(18)12-8-6-7-9-13(12)16/h6-9,14H,3-5,10H2,1-2H3
InChIKey GHIPAVSYJWKSEH-UHFFFAOYSA-N
Mol Weight 327.22 g/mol
Molecular Formula C15H19BrO3
Exact Mass 326.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElIIc9qur6N
Name 2-Bromo-benzoic acid 1-acetyl-hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19BrO3
InChI InChI=1S/C15H19BrO3/c1-3-4-5-10-14(11(2)17)19-15(18)12-8-6-7-9-13(12)16/h6-9,14H,3-5,10H2,1-2H3
InChIKey GHIPAVSYJWKSEH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800355
Molecular Weight 327.218 g/mol
SMILES C(c1c(cccc1)Br)(=O)OC(CCCCC)C(=O)C
SPLASH splash10-001l-5900000000-366722591a50aa443c71
Source of Spectrum ASC-350-2414/SM15-5h
Synonyms 2-Oxooctan-3-yl 2-bromobenzoate
Wiley ID 1765800